==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-OCT-07 2ZBX . COMPND 2 MOLECULE: CYTOCHROME P450-SU1; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES GRISEOLUS; . AUTHOR H.SUGIMOTO,R.SHINKYO,K.HAYASHI,S.YONEDA,M.YAMADA,M.KAMAKURA, . 399 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17796.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 266 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 18 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 38.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 0 1 1 2 1 0 1 1 1 0 0 0 0 1 0 0 0 0 0 1 1 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 3 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 8 A P 0 0 171 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.6 3.1 -27.8 30.3 2 9 A Q + 0 0 193 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.503 360.0 132.0 -92.3 -11.4 2.4 -24.3 29.1 3 10 A T - 0 0 137 1,-0.1 2,-0.3 2,-0.1 0, 0.0 -0.120 35.3-173.4 -47.5 132.2 5.6 -23.9 27.0 4 11 A T - 0 0 87 1,-0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.891 34.0-146.4-127.8 159.1 4.9 -22.6 23.5 5 12 A D S S+ 0 0 105 -2,-0.3 30,-0.3 1,-0.2 -2,-0.1 0.239 98.5 55.0-105.0 11.0 6.9 -22.0 20.3 6 13 A A S S- 0 0 3 28,-0.1 30,-0.3 30,-0.0 -1,-0.2 -0.614 82.0-163.6-138.9 74.4 4.9 -18.9 19.5 7 14 A P - 0 0 25 0, 0.0 30,-2.3 0, 0.0 2,-0.1 -0.182 33.1 -87.8 -63.2 153.6 5.1 -16.6 22.5 8 15 A A B -a 37 0A 80 28,-0.2 30,-0.2 31,-0.0 31,-0.0 -0.382 55.9-124.0 -58.9 133.5 2.7 -13.7 23.0 9 16 A F S S+ 0 0 11 28,-2.2 30,-0.3 -3,-0.1 2,-0.2 -0.992 74.8 37.3-133.4 141.2 4.0 -10.6 21.2 10 17 A P S S- 0 0 25 0, 0.0 2,-0.3 0, 0.0 374,-0.1 0.546 70.7-154.8 -81.2 173.4 4.6 -7.7 22.0 11 18 A S - 0 0 31 -2,-0.2 2,-0.4 372,-0.1 -2,-0.0 -0.762 14.9-120.7-104.5 161.2 6.2 -7.8 25.5 12 19 A N - 0 0 101 -2,-0.3 2,-0.1 370,-0.1 10,-0.1 -0.830 23.4-116.6-104.2 139.5 6.1 -4.9 28.0 13 20 A R - 0 0 25 368,-0.5 367,-0.2 -2,-0.4 6,-0.1 -0.474 21.9-175.7 -71.5 141.8 9.2 -3.2 29.4 14 21 A S S S+ 0 0 113 1,-0.3 -1,-0.1 4,-0.2 5,-0.1 0.467 83.0 41.0-108.2 -15.9 9.8 -3.4 33.2 15 22 A C S > S- 0 0 32 3,-0.4 3,-1.2 1,-0.1 -1,-0.3 -0.999 87.5-127.8-127.9 133.4 12.9 -1.2 32.9 16 23 A P T 3 S+ 0 0 5 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.796 106.5 26.3 -49.8 -33.0 12.8 1.8 30.6 17 24 A Y T 3 S+ 0 0 32 2,-0.1 2,-0.4 231,-0.1 262,-0.0 0.332 102.3 93.8-117.2 4.7 16.0 0.9 28.9 18 25 A Q S < S- 0 0 58 -3,-1.2 -3,-0.4 1,-0.0 -4,-0.2 -0.791 77.9-106.9-103.9 146.2 16.2 -2.9 29.2 19 26 A L - 0 0 16 -2,-0.4 5,-0.1 1,-0.1 -2,-0.1 -0.432 42.8-107.8 -57.4 131.2 15.1 -5.6 26.8 20 27 A P >> - 0 0 7 0, 0.0 4,-2.2 0, 0.0 3,-0.9 -0.312 31.5-111.7 -54.4 147.9 12.0 -7.4 28.1 21 28 A D H 3> S+ 0 0 139 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.884 119.6 53.5 -51.1 -45.4 12.8 -10.9 29.3 22 29 A G H 3> S+ 0 0 21 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.803 108.3 50.5 -59.2 -32.5 10.8 -12.4 26.4 23 30 A Y H <> S+ 0 0 4 -3,-0.9 4,-3.0 2,-0.2 -2,-0.2 0.851 105.1 54.9 -77.8 -37.2 12.8 -10.2 23.9 24 31 A A H X S+ 0 0 25 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.913 108.3 51.2 -56.4 -43.2 16.2 -11.3 25.4 25 32 A Q H X S+ 0 0 78 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.933 111.4 46.1 -62.2 -43.4 15.0 -14.9 24.8 26 33 A L H < S+ 0 0 4 -4,-1.8 3,-0.4 1,-0.2 -2,-0.2 0.909 112.3 51.4 -62.6 -42.9 14.1 -14.0 21.1 27 34 A R H < S+ 0 0 38 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.871 112.1 47.0 -59.5 -38.4 17.5 -12.2 20.7 28 35 A D H < S+ 0 0 108 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.639 91.0 94.4 -81.2 -18.6 19.3 -15.3 22.1 29 36 A T S < S- 0 0 48 -4,-1.2 19,-0.1 -3,-0.4 -4,-0.0 -0.662 83.1-117.5 -80.1 121.4 17.5 -17.8 19.9 30 37 A P S S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.148 71.7 54.8 -57.2 152.5 19.4 -18.5 16.7 31 38 A G S S- 0 0 30 1,-0.1 17,-0.2 3,-0.0 265,-0.1 0.079 83.9 -96.7 102.4 149.1 18.0 -17.6 13.2 32 39 A P S S+ 0 0 3 0, 0.0 16,-2.5 0, 0.0 17,-0.6 0.767 100.2 45.3 -68.2 -28.1 16.6 -14.4 11.6 33 40 A L E - B 0 47A 4 14,-0.2 2,-0.3 262,-0.2 14,-0.2 -0.803 55.9-175.3-120.8 156.6 12.9 -15.2 12.3 34 41 A H E - B 0 46A 37 12,-1.8 12,-2.6 -2,-0.3 2,-0.2 -0.985 27.5-118.7-145.5 142.4 10.7 -16.4 15.2 35 42 A R E + B 0 45A 114 -30,-0.3 2,-0.3 -2,-0.3 10,-0.2 -0.535 35.9 176.5 -73.8 144.9 7.0 -17.3 15.3 36 43 A V E - B 0 44A 1 8,-2.5 8,-2.0 -30,-0.3 2,-0.5 -0.926 27.7-124.2-139.3 166.9 4.8 -15.2 17.7 37 44 A T E -aB 8 43A 41 -30,-2.3 -28,-2.2 -2,-0.3 6,-0.2 -0.975 25.0-146.7-115.3 123.6 1.1 -15.0 18.7 38 45 A L > - 0 0 8 4,-3.1 3,-2.3 -2,-0.5 36,-0.1 -0.303 35.7 -90.2 -83.4 173.0 -0.6 -11.6 18.4 39 46 A Y T 3 S+ 0 0 94 1,-0.3 35,-0.1 -30,-0.3 -1,-0.1 0.763 125.0 52.2 -57.0 -32.4 -3.4 -10.4 20.7 40 47 A D T 3 S- 0 0 69 33,-0.3 -1,-0.3 2,-0.1 34,-0.0 0.264 122.5-100.8 -89.1 8.0 -6.2 -11.8 18.5 41 48 A G S < S+ 0 0 55 -3,-2.3 2,-0.2 1,-0.3 -2,-0.1 0.343 78.3 136.2 90.3 -6.3 -4.7 -15.3 18.4 42 49 A R - 0 0 87 -5,-0.1 -4,-3.1 1,-0.1 2,-0.3 -0.504 51.9-126.2 -77.1 143.0 -3.1 -15.0 15.0 43 50 A Q E +B 37 0A 114 -6,-0.2 262,-0.4 -2,-0.2 2,-0.3 -0.686 35.2 166.0 -85.8 140.2 0.4 -16.2 14.3 44 51 A A E -B 36 0A 3 -8,-2.0 -8,-2.5 -2,-0.3 2,-0.4 -0.881 32.4-108.9-139.8 172.6 3.0 -13.9 12.8 45 52 A W E -Bc 35 306A 13 260,-2.4 262,-2.8 -2,-0.3 2,-0.4 -0.859 21.4-157.5-101.5 145.4 6.7 -13.7 12.3 46 53 A V E -Bc 34 307A 0 -12,-2.6 -12,-1.8 -2,-0.4 2,-0.5 -0.945 12.8-138.7-114.0 145.8 9.2 -11.4 14.0 47 54 A V E +Bc 33 308A 0 260,-2.4 262,-1.7 -2,-0.4 266,-0.3 -0.911 26.6 170.8-101.0 125.8 12.6 -10.5 12.6 48 55 A T + 0 0 1 -16,-2.5 2,-0.3 -2,-0.5 -15,-0.1 0.400 46.2 77.0-123.0 -0.3 15.1 -10.5 15.4 49 56 A K S > S- 0 0 36 -17,-0.6 4,-1.7 1,-0.1 264,-0.2 -0.869 73.3-124.8-119.9 152.6 18.6 -10.2 13.8 50 57 A H H > S+ 0 0 5 -2,-0.3 4,-2.0 263,-0.3 5,-0.2 0.925 103.0 37.5 -67.6 -55.9 20.3 -7.1 12.4 51 58 A E H > S+ 0 0 124 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.917 116.7 53.7 -66.4 -38.9 21.3 -7.9 8.8 52 59 A A H > S+ 0 0 10 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.860 106.8 53.7 -59.1 -36.8 18.1 -9.9 8.3 53 60 A A H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.946 109.9 45.8 -63.9 -49.1 16.1 -6.8 9.4 54 61 A R H X S+ 0 0 59 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.888 113.4 50.8 -57.6 -41.5 17.8 -4.6 6.9 55 62 A K H < S+ 0 0 142 -4,-2.4 4,-0.4 2,-0.2 -2,-0.2 0.934 113.5 43.5 -65.5 -44.1 17.3 -7.1 4.2 56 63 A L H >< S+ 0 0 2 -4,-2.5 3,-1.0 1,-0.2 6,-0.2 0.885 110.5 53.9 -75.0 -35.2 13.6 -7.5 4.9 57 64 A L H 3< S+ 0 0 21 -4,-2.7 285,-0.3 1,-0.2 -1,-0.2 0.798 111.4 49.0 -62.6 -26.9 13.0 -3.8 5.3 58 65 A G T 3< S+ 0 0 45 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.525 89.4 99.1 -88.4 -5.3 14.6 -3.5 1.8 59 66 A D X - 0 0 16 -3,-1.0 3,-2.0 -4,-0.4 -4,-0.0 -0.720 60.8-156.2 -89.7 114.4 12.5 -6.2 0.3 60 67 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.672 88.9 74.4 -64.9 -12.9 9.5 -4.9 -1.7 61 68 A R T 3 S+ 0 0 102 1,-0.2 229,-2.6 228,-0.1 2,-0.8 0.606 83.7 74.2 -71.2 -15.2 7.6 -8.2 -1.2 62 69 A L E < S-D 289 0A 7 -3,-2.0 227,-0.2 -6,-0.2 -1,-0.2 -0.883 83.3-156.9 -99.4 99.2 7.1 -7.1 2.4 63 70 A S E -D 288 0A 4 225,-2.6 225,-2.1 -2,-0.8 26,-0.1 -0.436 23.0-147.3 -81.6 150.4 4.4 -4.4 2.0 64 71 A S + 0 0 4 223,-0.2 2,-1.0 -2,-0.1 -1,-0.1 0.277 52.5 136.1 -95.7 9.4 3.6 -1.5 4.4 65 72 A N > - 0 0 43 223,-0.2 3,-1.4 1,-0.2 6,-0.1 -0.420 31.6-176.5 -69.8 97.6 -0.1 -1.7 3.5 66 73 A R T 3 S+ 0 0 90 -2,-1.0 -1,-0.2 1,-0.3 5,-0.1 0.644 77.4 68.0 -69.2 -15.1 -1.9 -1.4 6.9 67 74 A T T 3 S+ 0 0 90 20,-0.3 -1,-0.3 3,-0.1 2,-0.1 0.619 74.3 111.7 -79.9 -13.5 -5.3 -1.8 5.2 68 75 A D S X S- 0 0 57 -3,-1.4 3,-2.0 1,-0.1 0, 0.0 -0.394 74.1-131.5 -64.0 135.3 -4.5 -5.5 4.4 69 76 A D T 3 S+ 0 0 142 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.783 107.7 49.6 -57.4 -28.7 -6.6 -8.0 6.3 70 77 A N T 3 S+ 0 0 74 2,-0.1 -1,-0.3 234,-0.1 219,-0.1 0.329 75.9 129.5 -96.8 5.4 -3.4 -9.8 7.2 71 78 A F S < S- 0 0 12 -3,-2.0 2,-2.0 1,-0.1 217,-0.1 -0.392 72.5-108.1 -58.9 135.4 -1.3 -6.9 8.4 72 79 A P - 0 0 7 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.465 42.3-173.6 -76.6 79.3 0.1 -7.8 11.8 73 80 A A - 0 0 8 -2,-2.0 -33,-0.3 1,-0.1 -34,-0.2 -0.523 12.0-166.1 -70.5 127.9 -1.9 -5.6 14.2 74 81 A T + 0 0 17 -2,-0.3 -35,-0.2 -36,-0.1 -1,-0.1 0.546 67.4 25.7 -98.2 -7.4 -0.6 -5.8 17.7 75 82 A S S > S- 0 0 7 -37,-0.1 3,-1.8 309,-0.0 4,-0.2 -0.983 81.3-106.4-150.2 160.2 -3.6 -4.2 19.5 76 83 A P G > S+ 0 0 43 0, 0.0 3,-1.5 0, 0.0 99,-0.1 0.710 110.7 74.8 -55.6 -23.1 -7.4 -3.7 19.1 77 84 A R G 3 S+ 0 0 36 96,-0.3 98,-0.1 1,-0.3 97,-0.1 0.801 77.0 74.0 -59.6 -31.9 -6.6 -0.0 18.3 78 85 A F G < 0 0 74 -3,-1.8 -1,-0.3 1,-0.3 97,-0.0 0.715 360.0 360.0 -60.4 -20.8 -5.4 -1.0 14.8 79 86 A E < 0 0 136 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.1 0.219 360.0 360.0 -74.8 360.0 -9.0 -1.5 13.9 80 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 81 91 A S 0 0 105 0, 0.0 142,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 151.3 -9.5 6.6 5.7 82 92 A P - 0 0 48 0, 0.0 2,-0.2 0, 0.0 144,-0.0 -0.346 360.0-113.5 -69.7 149.2 -6.7 6.9 3.2 83 93 A Q - 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